4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one

C15H28N2O — CID 115240296

IUPAC4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
SMILESCN(CCC1CCN(C)C1)CC1CCC(=O)CC1
InChIInChI=1S/C15H28N2O/c1-16(9-7-14-8-10-17(2)12-14)11-13-3-5-15(18)6-4-13/h13-14H,3-12H2,1-2H3
InChIKeyDSEUYAGALZKJQG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds5

About 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one

4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one (PubChem CID 115240296) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
PubChem CID115240296
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
SMILESCN(CCC1CCN(C)C1)CC1CCC(=O)CC1
InChIInChI=1S/C15H28N2O/c1-16(9-7-14-8-10-17(2)12-14)11-13-3-5-15(18)6-4-13/h13-14H,3-12H2,1-2H3
InChIKeyDSEUYAGALZKJQG-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240224
4-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240223
4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-one
CID 115240121
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
N-methyl-N-[(1-methylpiperazin-2-yl)methyl]-2-(1-methylpyrrolidin-3-yl)ethanamine
CID 115238510
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one (CID 115240296) is 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one is CN(CCC1CCN(C)C1)CC1CCC(=O)CC1.
What is the InChIKey of 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one?
The InChIKey is DSEUYAGALZKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16(9-7-14-8-10-17(2)12-14)11-13-3-5-15(18)6-4-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one?
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 115240296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).